USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 HIS : no HD1:sc= -0.583 X(o=-0.58,f=-0.097) USER MOD Single : A 4 SER OG : rot -62:sc= -1.6! USER MOD Single : A 5 SER OG : rot -161:sc= -1.95! USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.13) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 22 MET CE :methyl -166:sc= -1.01 (180deg=-1.34) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 28 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= 1.27 (180deg=0.725) USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= 1.15 (180deg=0.506) USER MOD Single : B 3 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : B 4 SER OG : rot -60:sc= -2.34! USER MOD Single : B 5 SER OG : rot -164:sc= -1.2 USER MOD Single : B 7 LYS NZ :NH3+ -163:sc= 1.2 (180deg=1.09) USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : B 22 MET CE :methyl -167:sc= -1.02 (180deg=-1.36) USER MOD Single : B 23 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 26 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 28 ASN : amide:sc= -0.445 X(o=-0.44,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 161:sc= 1.26 (180deg=0.843) USER MOD Single : B 41 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0.924) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.842 -9.563 5.677 1.00 0.00 N ATOM 280 CA ILE A 2 -4.232 -9.931 5.759 1.00 0.00 C ATOM 281 C ILE A 2 -4.759 -10.171 4.357 1.00 0.00 C ATOM 282 O ILE A 2 -4.716 -9.274 3.515 1.00 0.00 O ATOM 283 CB ILE A 2 -5.064 -8.802 6.430 1.00 0.00 C ATOM 284 CG1 ILE A 2 -4.476 -8.444 7.805 1.00 0.00 C ATOM 285 CG2 ILE A 2 -6.532 -9.223 6.565 1.00 0.00 C ATOM 286 CD1 ILE A 2 -5.151 -7.270 8.484 1.00 0.00 C ATOM 0 HA ILE A 2 -4.323 -10.834 6.362 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.018 -7.917 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.547 -9.315 8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.416 -8.220 7.687 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.099 -8.420 7.037 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.945 -9.426 5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.598 -10.122 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.676 -7.084 9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.057 -6.384 7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.206 -7.496 8.637 1.00 0.00 H new ATOM 298 N HIS A 3 -5.209 -11.369 4.097 1.00 0.00 N ATOM 299 CA HIS A 3 -5.771 -11.696 2.815 1.00 0.00 C ATOM 300 C HIS A 3 -7.177 -11.148 2.733 1.00 0.00 C ATOM 301 O HIS A 3 -8.105 -11.661 3.366 1.00 0.00 O ATOM 302 CB HIS A 3 -5.738 -13.203 2.545 1.00 0.00 C ATOM 303 CG HIS A 3 -4.355 -13.753 2.358 1.00 0.00 C ATOM 304 ND1 HIS A 3 -3.735 -14.596 3.245 1.00 0.00 N ATOM 305 CD2 HIS A 3 -3.477 -13.575 1.342 1.00 0.00 C ATOM 306 CE1 HIS A 3 -2.527 -14.897 2.762 1.00 0.00 C ATOM 307 NE2 HIS A 3 -2.318 -14.302 1.605 1.00 0.00 N ATOM 0 H HIS A 3 -5.197 -12.141 4.763 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.163 -11.233 2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.217 -13.722 3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.328 -13.416 1.653 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.648 -12.966 0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.815 -15.543 3.255 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.482 -14.361 1.023 1.00 0.00 H new ATOM 315 N SER A 4 -7.305 -10.091 2.004 1.00 0.00 N ATOM 316 CA SER A 4 -8.536 -9.371 1.872 1.00 0.00 C ATOM 317 C SER A 4 -9.260 -9.817 0.602 1.00 0.00 C ATOM 318 O SER A 4 -9.034 -10.929 0.103 1.00 0.00 O ATOM 319 CB SER A 4 -8.182 -7.894 1.764 1.00 0.00 C ATOM 320 OG SER A 4 -7.375 -7.676 0.634 1.00 0.00 O ATOM 0 H SER A 4 -6.537 -9.689 1.466 1.00 0.00 H new ATOM 0 HA SER A 4 -9.188 -9.556 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.092 -7.298 1.692 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.658 -7.570 2.663 1.00 0.00 H new ATOM 0 HG SER A 4 -6.538 -8.178 0.728 1.00 0.00 H new ATOM 326 N SER A 5 -10.113 -8.956 0.104 1.00 0.00 N ATOM 327 CA SER A 5 -10.814 -9.139 -1.127 1.00 0.00 C ATOM 328 C SER A 5 -11.422 -7.815 -1.519 1.00 0.00 C ATOM 329 O SER A 5 -12.068 -7.162 -0.704 1.00 0.00 O ATOM 330 CB SER A 5 -11.877 -10.243 -1.026 1.00 0.00 C ATOM 331 OG SER A 5 -12.748 -10.028 0.070 1.00 0.00 O ATOM 0 H SER A 5 -10.341 -8.077 0.569 1.00 0.00 H new ATOM 0 HA SER A 5 -10.117 -9.470 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.455 -10.278 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.388 -11.211 -0.919 1.00 0.00 H new ATOM 0 HG SER A 5 -13.205 -10.865 0.294 1.00 0.00 H new ATOM 337 N VAL A 6 -11.155 -7.381 -2.709 1.00 0.00 N ATOM 338 CA VAL A 6 -11.710 -6.130 -3.189 1.00 0.00 C ATOM 339 C VAL A 6 -13.158 -6.358 -3.531 1.00 0.00 C ATOM 340 O VAL A 6 -13.466 -7.161 -4.395 1.00 0.00 O ATOM 341 CB VAL A 6 -10.951 -5.611 -4.425 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.509 -4.278 -4.895 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.491 -5.482 -4.096 1.00 0.00 C ATOM 0 H VAL A 6 -10.556 -7.866 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.613 -5.374 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.079 -6.326 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.952 -3.938 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.560 -4.396 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.415 -3.542 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.952 -5.115 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.365 -4.781 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.095 -6.456 -3.809 1.00 0.00 H new ATOM 353 N LYS A 7 -14.036 -5.695 -2.857 1.00 0.00 N ATOM 354 CA LYS A 7 -15.426 -5.922 -3.069 1.00 0.00 C ATOM 355 C LYS A 7 -16.021 -4.748 -3.853 1.00 0.00 C ATOM 356 O LYS A 7 -15.361 -3.728 -4.050 1.00 0.00 O ATOM 357 CB LYS A 7 -16.134 -6.153 -1.731 1.00 0.00 C ATOM 358 CG LYS A 7 -15.674 -7.377 -0.940 1.00 0.00 C ATOM 359 CD LYS A 7 -16.053 -8.670 -1.636 1.00 0.00 C ATOM 360 CE LYS A 7 -15.816 -9.868 -0.732 1.00 0.00 C ATOM 361 NZ LYS A 7 -16.255 -11.140 -1.350 1.00 0.00 N ATOM 0 H LYS A 7 -13.816 -4.990 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.572 -6.824 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.994 -5.268 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.204 -6.245 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.593 -7.339 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.119 -7.355 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.102 -8.634 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.469 -8.779 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.755 -9.932 -0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.349 -9.721 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.056 -11.928 -0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.276 -11.098 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.741 -11.288 -2.242 1.00 0.00 H new ATOM 375 N ARG A 8 -17.227 -4.897 -4.310 1.00 0.00 N ATOM 376 CA ARG A 8 -17.862 -3.891 -5.128 1.00 0.00 C ATOM 377 C ARG A 8 -18.868 -3.068 -4.332 1.00 0.00 C ATOM 378 O ARG A 8 -19.902 -3.581 -3.889 1.00 0.00 O ATOM 379 CB ARG A 8 -18.531 -4.555 -6.306 1.00 0.00 C ATOM 380 CG ARG A 8 -19.168 -3.606 -7.283 1.00 0.00 C ATOM 381 CD ARG A 8 -19.693 -4.381 -8.447 1.00 0.00 C ATOM 382 NE ARG A 8 -18.618 -4.857 -9.334 1.00 0.00 N ATOM 383 CZ ARG A 8 -18.534 -6.082 -9.887 1.00 0.00 C ATOM 384 NH1 ARG A 8 -19.377 -7.045 -9.523 1.00 0.00 N ATOM 385 NH2 ARG A 8 -17.574 -6.346 -10.771 1.00 0.00 N ATOM 0 H ARG A 8 -17.805 -5.718 -4.130 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.096 -3.202 -5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.792 -5.157 -6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.294 -5.240 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.977 -3.057 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.440 -2.869 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.265 -5.234 -8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.380 -3.755 -9.017 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.869 -4.199 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.093 -6.858 -8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.307 -7.970 -9.946 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.904 -5.621 -11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.508 -7.273 -11.191 1.00 0.00 H new ATOM 399 N TRP A 9 -18.559 -1.817 -4.142 1.00 0.00 N ATOM 400 CA TRP A 9 -19.413 -0.881 -3.436 1.00 0.00 C ATOM 401 C TRP A 9 -20.079 -0.016 -4.483 1.00 0.00 C ATOM 402 O TRP A 9 -19.474 0.921 -5.019 1.00 0.00 O ATOM 403 CB TRP A 9 -18.552 -0.056 -2.459 1.00 0.00 C ATOM 404 CG TRP A 9 -19.254 0.906 -1.540 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.587 1.032 -1.325 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.633 1.876 -0.668 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.820 1.979 -0.390 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.668 2.528 0.007 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.312 2.260 -0.390 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.450 3.525 0.922 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -17.103 3.253 0.526 1.00 0.00 C ATOM 412 CH2 TRP A 9 -18.175 3.877 1.166 1.00 0.00 C ATOM 0 H TRP A 9 -17.690 -1.402 -4.477 1.00 0.00 H new ATOM 0 HA TRP A 9 -20.180 -1.382 -2.845 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.985 -0.754 -1.843 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.829 0.510 -3.047 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.351 0.459 -1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.742 2.238 -0.038 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.481 1.783 -0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.272 4.010 1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -16.094 3.559 0.758 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.975 4.665 1.877 1.00 0.00 H new ATOM 423 N GLY A 10 -21.280 -0.408 -4.849 1.00 0.00 N ATOM 424 CA GLY A 10 -21.984 0.255 -5.892 1.00 0.00 C ATOM 425 C GLY A 10 -21.441 -0.218 -7.199 1.00 0.00 C ATOM 426 O GLY A 10 -21.558 -1.400 -7.539 1.00 0.00 O ATOM 0 H GLY A 10 -21.781 -1.190 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -23.051 0.042 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.868 1.335 -5.801 1.00 0.00 H new ATOM 430 N ASN A 11 -20.846 0.671 -7.925 1.00 0.00 N ATOM 431 CA ASN A 11 -20.150 0.312 -9.144 1.00 0.00 C ATOM 432 C ASN A 11 -18.657 0.585 -9.003 1.00 0.00 C ATOM 433 O ASN A 11 -17.966 0.774 -10.010 1.00 0.00 O ATOM 434 CB ASN A 11 -20.712 1.098 -10.342 1.00 0.00 C ATOM 435 CG ASN A 11 -22.112 0.674 -10.730 1.00 0.00 C ATOM 436 OD1 ASN A 11 -22.288 -0.227 -11.528 1.00 0.00 O ATOM 437 ND2 ASN A 11 -23.112 1.330 -10.210 1.00 0.00 N ATOM 0 H ASN A 11 -20.821 1.666 -7.702 1.00 0.00 H new ATOM 0 HA ASN A 11 -20.302 -0.753 -9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.715 2.161 -10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -20.049 0.967 -11.197 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -24.069 1.092 -10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -22.937 2.082 -9.543 1.00 0.00 H new ATOM 444 N SER A 12 -18.131 0.528 -7.789 1.00 0.00 N ATOM 445 CA SER A 12 -16.787 0.915 -7.560 1.00 0.00 C ATOM 446 C SER A 12 -16.100 -0.095 -6.657 1.00 0.00 C ATOM 447 O SER A 12 -16.689 -0.564 -5.680 1.00 0.00 O ATOM 448 CB SER A 12 -16.767 2.301 -6.920 1.00 0.00 C ATOM 449 OG SER A 12 -17.457 3.246 -7.738 1.00 0.00 O ATOM 0 H SER A 12 -18.633 0.214 -6.958 1.00 0.00 H new ATOM 0 HA SER A 12 -16.250 0.949 -8.508 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.231 2.258 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.736 2.624 -6.773 1.00 0.00 H new ATOM 0 HG SER A 12 -17.434 4.127 -7.310 1.00 0.00 H new ATOM 455 N PRO A 13 -14.893 -0.492 -7.012 1.00 0.00 N ATOM 456 CA PRO A 13 -14.091 -1.387 -6.199 1.00 0.00 C ATOM 457 C PRO A 13 -13.658 -0.716 -4.893 1.00 0.00 C ATOM 458 O PRO A 13 -13.093 0.389 -4.890 1.00 0.00 O ATOM 459 CB PRO A 13 -12.876 -1.710 -7.079 1.00 0.00 C ATOM 460 CG PRO A 13 -12.839 -0.650 -8.124 1.00 0.00 C ATOM 461 CD PRO A 13 -14.229 -0.112 -8.259 1.00 0.00 C ATOM 0 HA PRO A 13 -14.642 -2.279 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.958 -1.713 -6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.970 -2.699 -7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -12.145 0.143 -7.843 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.490 -1.057 -9.073 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -14.224 0.970 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.737 -0.538 -9.124 1.00 0.00 H new ATOM 469 N ALA A 14 -13.948 -1.363 -3.803 1.00 0.00 N ATOM 470 CA ALA A 14 -13.629 -0.862 -2.507 1.00 0.00 C ATOM 471 C ALA A 14 -13.130 -1.992 -1.644 1.00 0.00 C ATOM 472 O ALA A 14 -13.666 -3.107 -1.690 1.00 0.00 O ATOM 473 CB ALA A 14 -14.850 -0.210 -1.875 1.00 0.00 C ATOM 0 H ALA A 14 -14.420 -2.267 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.848 -0.106 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.590 0.167 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.187 0.616 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.649 -0.946 -1.784 1.00 0.00 H new ATOM 479 N VAL A 15 -12.100 -1.739 -0.897 1.00 0.00 N ATOM 480 CA VAL A 15 -11.573 -2.741 -0.015 1.00 0.00 C ATOM 481 C VAL A 15 -11.845 -2.322 1.424 1.00 0.00 C ATOM 482 O VAL A 15 -11.783 -1.127 1.754 1.00 0.00 O ATOM 483 CB VAL A 15 -10.046 -3.024 -0.262 1.00 0.00 C ATOM 484 CG1 VAL A 15 -9.170 -1.831 0.106 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.587 -4.284 0.467 1.00 0.00 C ATOM 0 H VAL A 15 -11.605 -0.847 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.079 -3.684 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.929 -3.191 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.125 -2.075 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.456 -0.970 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.303 -1.594 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.527 -4.450 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.747 -4.163 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.159 -5.140 0.109 1.00 0.00 H new ATOM 495 N ARG A 16 -12.213 -3.273 2.238 1.00 0.00 N ATOM 496 CA ARG A 16 -12.511 -3.040 3.626 1.00 0.00 C ATOM 497 C ARG A 16 -11.248 -3.036 4.450 1.00 0.00 C ATOM 498 O ARG A 16 -10.514 -4.033 4.493 1.00 0.00 O ATOM 499 CB ARG A 16 -13.475 -4.099 4.139 1.00 0.00 C ATOM 500 CG ARG A 16 -14.834 -3.996 3.513 1.00 0.00 C ATOM 501 CD ARG A 16 -15.748 -5.101 3.961 1.00 0.00 C ATOM 502 NE ARG A 16 -17.099 -4.942 3.392 1.00 0.00 N ATOM 503 CZ ARG A 16 -18.119 -5.785 3.602 1.00 0.00 C ATOM 504 NH1 ARG A 16 -17.920 -6.921 4.260 1.00 0.00 N ATOM 505 NH2 ARG A 16 -19.332 -5.499 3.121 1.00 0.00 N ATOM 0 H ARG A 16 -12.316 -4.247 1.952 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.981 -2.061 3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -13.062 -5.088 3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.570 -4.005 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.278 -3.034 3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.736 -4.025 2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.335 -6.063 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.808 -5.108 5.049 1.00 0.00 H new ATOM 0 HE ARG A 16 -17.269 -4.132 2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.989 -7.153 4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.698 -7.561 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.482 -4.639 2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.108 -6.141 3.281 1.00 0.00 H new ATOM 519 N ILE A 17 -10.999 -1.941 5.099 1.00 0.00 N ATOM 520 CA ILE A 17 -9.837 -1.800 5.933 1.00 0.00 C ATOM 521 C ILE A 17 -10.229 -2.184 7.355 1.00 0.00 C ATOM 522 O ILE A 17 -11.277 -1.752 7.841 1.00 0.00 O ATOM 523 CB ILE A 17 -9.217 -0.336 5.911 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.512 0.006 4.593 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.244 -0.109 7.031 1.00 0.00 C ATOM 526 CD1 ILE A 17 -9.407 0.389 3.485 1.00 0.00 C ATOM 0 H ILE A 17 -11.596 -1.114 5.068 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.059 -2.457 5.543 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.079 0.320 6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.814 0.823 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.921 -0.855 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.850 0.905 6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.751 -0.245 7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.424 -0.822 6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.814 0.611 2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.090 -0.433 3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.980 1.272 3.769 1.00 0.00 H new ATOM 538 N PRO A 18 -9.456 -3.063 8.011 1.00 0.00 N ATOM 539 CA PRO A 18 -9.712 -3.437 9.394 1.00 0.00 C ATOM 540 C PRO A 18 -9.640 -2.214 10.309 1.00 0.00 C ATOM 541 O PRO A 18 -8.643 -1.460 10.295 1.00 0.00 O ATOM 542 CB PRO A 18 -8.585 -4.427 9.731 1.00 0.00 C ATOM 543 CG PRO A 18 -7.560 -4.244 8.665 1.00 0.00 C ATOM 544 CD PRO A 18 -8.293 -3.773 7.449 1.00 0.00 C ATOM 0 HA PRO A 18 -10.705 -3.866 9.532 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.166 -4.224 10.717 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.955 -5.452 9.747 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.808 -3.517 8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.037 -5.179 8.465 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.676 -3.115 6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.597 -4.605 6.815 1.00 0.00 H new ATOM 552 N ALA A 19 -10.686 -2.017 11.097 1.00 0.00 N ATOM 553 CA ALA A 19 -10.792 -0.888 12.011 1.00 0.00 C ATOM 554 C ALA A 19 -9.627 -0.861 12.989 1.00 0.00 C ATOM 555 O ALA A 19 -9.178 0.201 13.396 1.00 0.00 O ATOM 556 CB ALA A 19 -12.115 -0.925 12.744 1.00 0.00 C ATOM 0 H ALA A 19 -11.492 -2.641 11.121 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.750 0.030 11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.179 -0.075 13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.932 -0.876 12.024 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.189 -1.851 13.314 1.00 0.00 H new ATOM 562 N THR A 20 -9.120 -2.037 13.312 1.00 0.00 N ATOM 563 CA THR A 20 -7.973 -2.205 14.173 1.00 0.00 C ATOM 564 C THR A 20 -6.747 -1.423 13.615 1.00 0.00 C ATOM 565 O THR A 20 -5.975 -0.828 14.368 1.00 0.00 O ATOM 566 CB THR A 20 -7.655 -3.703 14.245 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.881 -4.408 14.513 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.662 -4.005 15.349 1.00 0.00 C ATOM 0 H THR A 20 -9.506 -2.918 12.973 1.00 0.00 H new ATOM 0 HA THR A 20 -8.192 -1.813 15.166 1.00 0.00 H new ATOM 0 HB THR A 20 -7.215 -4.017 13.299 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.701 -5.370 14.562 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.459 -5.076 15.373 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.735 -3.463 15.162 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.078 -3.694 16.307 1.00 0.00 H new ATOM 576 N LEU A 21 -6.622 -1.391 12.287 1.00 0.00 N ATOM 577 CA LEU A 21 -5.519 -0.702 11.609 1.00 0.00 C ATOM 578 C LEU A 21 -5.795 0.751 11.486 1.00 0.00 C ATOM 579 O LEU A 21 -4.888 1.567 11.539 1.00 0.00 O ATOM 580 CB LEU A 21 -5.258 -1.297 10.241 1.00 0.00 C ATOM 581 CG LEU A 21 -4.356 -2.518 10.190 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.913 -2.121 10.473 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.795 -3.581 11.176 1.00 0.00 C ATOM 0 H LEU A 21 -7.280 -1.841 11.651 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.626 -0.838 12.220 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.217 -1.564 9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.819 -0.523 9.611 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.430 -2.936 9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.278 -3.006 10.433 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.580 -1.401 9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.847 -1.671 11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.125 -4.438 11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.764 -3.174 12.187 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.812 -3.896 10.942 1.00 0.00 H new ATOM 595 N MET A 22 -7.046 1.063 11.313 1.00 0.00 N ATOM 596 CA MET A 22 -7.516 2.461 11.304 1.00 0.00 C ATOM 597 C MET A 22 -7.056 3.144 12.569 1.00 0.00 C ATOM 598 O MET A 22 -6.491 4.232 12.548 1.00 0.00 O ATOM 599 CB MET A 22 -9.039 2.519 11.224 1.00 0.00 C ATOM 600 CG MET A 22 -9.634 2.007 9.933 1.00 0.00 C ATOM 601 SD MET A 22 -9.334 3.088 8.546 1.00 0.00 S ATOM 602 CE MET A 22 -10.241 4.524 9.104 1.00 0.00 C ATOM 0 H MET A 22 -7.785 0.374 11.173 1.00 0.00 H new ATOM 0 HA MET A 22 -7.103 2.966 10.431 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.453 1.941 12.051 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.356 3.552 11.367 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.220 1.023 9.715 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.709 1.880 10.061 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.379 5.213 8.271 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.214 4.214 9.484 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.683 5.021 9.897 1.00 0.00 H new ATOM 612 N GLN A 23 -7.282 2.466 13.646 1.00 0.00 N ATOM 613 CA GLN A 23 -6.850 2.883 14.964 1.00 0.00 C ATOM 614 C GLN A 23 -5.331 2.848 15.082 1.00 0.00 C ATOM 615 O GLN A 23 -4.728 3.711 15.709 1.00 0.00 O ATOM 616 CB GLN A 23 -7.439 1.940 15.987 1.00 0.00 C ATOM 617 CG GLN A 23 -8.940 1.912 15.972 1.00 0.00 C ATOM 618 CD GLN A 23 -9.531 0.861 16.891 1.00 0.00 C ATOM 619 OE1 GLN A 23 -8.932 -0.181 17.128 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.704 1.126 17.413 1.00 0.00 N ATOM 0 H GLN A 23 -7.786 1.579 13.646 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.187 3.905 15.134 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.062 0.934 15.804 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.098 2.232 16.980 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.317 2.892 16.263 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.283 1.728 14.954 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.173 2.004 17.193 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.147 0.454 18.039 1.00 0.00 H new ATOM 629 N ALA A 24 -4.720 1.876 14.427 1.00 0.00 N ATOM 630 CA ALA A 24 -3.265 1.644 14.548 1.00 0.00 C ATOM 631 C ALA A 24 -2.445 2.710 13.838 1.00 0.00 C ATOM 632 O ALA A 24 -1.316 2.997 14.219 1.00 0.00 O ATOM 633 CB ALA A 24 -2.888 0.266 14.029 1.00 0.00 C ATOM 0 H ALA A 24 -5.197 1.226 13.802 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.030 1.702 15.611 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.812 0.121 14.130 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.412 -0.496 14.606 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.169 0.183 12.979 1.00 0.00 H new ATOM 639 N LEU A 25 -3.005 3.261 12.798 1.00 0.00 N ATOM 640 CA LEU A 25 -2.345 4.299 12.027 1.00 0.00 C ATOM 641 C LEU A 25 -2.927 5.666 12.387 1.00 0.00 C ATOM 642 O LEU A 25 -2.406 6.722 11.999 1.00 0.00 O ATOM 643 CB LEU A 25 -2.544 4.007 10.559 1.00 0.00 C ATOM 644 CG LEU A 25 -2.024 2.657 10.087 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.460 2.419 8.680 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.513 2.595 10.182 1.00 0.00 C ATOM 0 H LEU A 25 -3.932 3.009 12.454 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.279 4.315 12.254 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.609 4.066 10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.053 4.789 9.980 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.435 1.880 10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.087 1.452 8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.549 2.426 8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.063 3.205 8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.167 1.620 9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.077 3.375 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.207 2.745 11.217 1.00 0.00 H new ATOM 658 N ASN A 26 -4.009 5.604 13.143 1.00 0.00 N ATOM 659 CA ASN A 26 -4.794 6.738 13.630 1.00 0.00 C ATOM 660 C ASN A 26 -5.386 7.576 12.504 1.00 0.00 C ATOM 661 O ASN A 26 -4.938 8.695 12.220 1.00 0.00 O ATOM 662 CB ASN A 26 -4.048 7.617 14.655 1.00 0.00 C ATOM 663 CG ASN A 26 -4.965 8.660 15.295 1.00 0.00 C ATOM 664 OD1 ASN A 26 -6.162 8.426 15.486 1.00 0.00 O ATOM 665 ND2 ASN A 26 -4.426 9.804 15.624 1.00 0.00 N ATOM 0 H ASN A 26 -4.390 4.711 13.455 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.627 6.284 14.167 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.622 6.983 15.433 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.216 8.120 14.163 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.997 10.533 16.051 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.434 9.968 15.454 1.00 0.00 H new ATOM 672 N LEU A 27 -6.319 6.996 11.813 1.00 0.00 N ATOM 673 CA LEU A 27 -7.069 7.653 10.827 1.00 0.00 C ATOM 674 C LEU A 27 -8.521 7.359 11.075 1.00 0.00 C ATOM 675 O LEU A 27 -8.856 6.401 11.787 1.00 0.00 O ATOM 676 CB LEU A 27 -6.686 7.232 9.428 1.00 0.00 C ATOM 677 CG LEU A 27 -6.812 5.766 9.072 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.124 5.654 7.615 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.518 5.050 9.351 1.00 0.00 C ATOM 0 H LEU A 27 -6.576 6.017 11.937 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.867 8.722 10.893 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.298 7.800 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.651 7.529 9.260 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.604 5.315 9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.218 4.603 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.061 6.169 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.321 6.109 7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.622 3.997 9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.721 5.494 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.273 5.140 10.409 1.00 0.00 H new ATOM 691 N ASN A 28 -9.368 8.157 10.518 1.00 0.00 N ATOM 692 CA ASN A 28 -10.802 8.015 10.710 1.00 0.00 C ATOM 693 C ASN A 28 -11.504 7.959 9.371 1.00 0.00 C ATOM 694 O ASN A 28 -10.861 7.818 8.336 1.00 0.00 O ATOM 695 CB ASN A 28 -11.353 9.194 11.524 1.00 0.00 C ATOM 696 CG ASN A 28 -10.874 9.258 12.965 1.00 0.00 C ATOM 697 OD1 ASN A 28 -10.612 8.132 13.576 1.00 0.00 O flip ATOM 698 ND2 ASN A 28 -10.760 10.346 13.534 1.00 0.00 N flip ATOM 0 H ASN A 28 -9.102 8.933 9.912 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.985 7.088 11.254 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.077 10.122 11.024 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.442 9.141 11.521 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.971 11.209 13.032 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.454 10.383 14.506 1.00 0.00 H new ATOM 705 N ILE A 29 -12.811 8.049 9.389 1.00 0.00 N ATOM 706 CA ILE A 29 -13.581 8.088 8.173 1.00 0.00 C ATOM 707 C ILE A 29 -13.481 9.487 7.586 1.00 0.00 C ATOM 708 O ILE A 29 -13.336 10.474 8.335 1.00 0.00 O ATOM 709 CB ILE A 29 -15.081 7.693 8.428 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.195 6.219 8.855 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.984 7.980 7.221 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.695 5.223 7.832 1.00 0.00 C ATOM 0 H ILE A 29 -13.367 8.097 10.243 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.180 7.360 7.468 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.435 8.324 9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.637 6.079 9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.239 5.999 9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.008 7.687 7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.955 9.045 6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.632 7.412 6.360 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.815 4.212 8.220 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.268 5.329 6.911 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.641 5.410 7.627 1.00 0.00 H new ATOM 724 N ASP A 30 -13.474 9.547 6.256 1.00 0.00 N ATOM 725 CA ASP A 30 -13.411 10.776 5.473 1.00 0.00 C ATOM 726 C ASP A 30 -12.033 11.400 5.636 1.00 0.00 C ATOM 727 O ASP A 30 -11.823 12.596 5.478 1.00 0.00 O ATOM 728 CB ASP A 30 -14.557 11.730 5.882 1.00 0.00 C ATOM 729 CG ASP A 30 -14.709 12.909 4.965 1.00 0.00 C ATOM 730 OD1 ASP A 30 -15.076 12.704 3.791 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.537 14.062 5.418 1.00 0.00 O ATOM 0 H ASP A 30 -13.514 8.710 5.674 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.552 10.561 4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.493 11.173 5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.377 12.089 6.895 1.00 0.00 H new ATOM 736 N ASP A 31 -11.078 10.548 5.909 1.00 0.00 N ATOM 737 CA ASP A 31 -9.728 10.960 6.103 1.00 0.00 C ATOM 738 C ASP A 31 -8.999 10.700 4.808 1.00 0.00 C ATOM 739 O ASP A 31 -9.182 9.643 4.176 1.00 0.00 O ATOM 740 CB ASP A 31 -9.113 10.174 7.255 1.00 0.00 C ATOM 741 CG ASP A 31 -7.883 10.816 7.866 1.00 0.00 C ATOM 742 OD1 ASP A 31 -7.140 11.510 7.167 1.00 0.00 O ATOM 743 OD2 ASP A 31 -7.633 10.613 9.081 1.00 0.00 O ATOM 0 H ASP A 31 -11.226 9.543 6.002 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.662 12.017 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.865 10.045 8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.849 9.178 6.899 1.00 0.00 H new ATOM 748 N GLU A 32 -8.222 11.642 4.424 1.00 0.00 N ATOM 749 CA GLU A 32 -7.543 11.662 3.169 1.00 0.00 C ATOM 750 C GLU A 32 -6.224 10.927 3.278 1.00 0.00 C ATOM 751 O GLU A 32 -5.440 11.204 4.178 1.00 0.00 O ATOM 752 CB GLU A 32 -7.340 13.133 2.808 1.00 0.00 C ATOM 753 CG GLU A 32 -6.464 13.418 1.617 1.00 0.00 C ATOM 754 CD GLU A 32 -6.347 14.899 1.379 1.00 0.00 C ATOM 755 OE1 GLU A 32 -5.703 15.611 2.197 1.00 0.00 O ATOM 756 OE2 GLU A 32 -6.960 15.403 0.416 1.00 0.00 O ATOM 0 H GLU A 32 -8.028 12.462 4.998 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.117 11.159 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.318 13.578 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.915 13.641 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.474 12.992 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.878 12.935 0.732 1.00 0.00 H new ATOM 763 N VAL A 33 -5.994 9.953 2.410 1.00 0.00 N ATOM 764 CA VAL A 33 -4.722 9.253 2.419 1.00 0.00 C ATOM 765 C VAL A 33 -4.134 9.287 1.046 1.00 0.00 C ATOM 766 O VAL A 33 -4.857 9.514 0.063 1.00 0.00 O ATOM 767 CB VAL A 33 -4.803 7.762 2.926 1.00 0.00 C ATOM 768 CG1 VAL A 33 -5.740 7.650 4.059 1.00 0.00 C ATOM 769 CG2 VAL A 33 -5.172 6.756 1.851 1.00 0.00 C ATOM 0 H VAL A 33 -6.658 9.635 1.704 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.088 9.776 3.135 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.792 7.509 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.782 6.614 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.398 8.283 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.733 7.970 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.206 5.756 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.150 7.006 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.426 6.782 1.057 1.00 0.00 H new ATOM 779 N LYS A 34 -2.865 9.099 0.955 1.00 0.00 N ATOM 780 CA LYS A 34 -2.264 9.012 -0.348 1.00 0.00 C ATOM 781 C LYS A 34 -2.204 7.599 -0.814 1.00 0.00 C ATOM 782 O LYS A 34 -1.640 6.738 -0.140 1.00 0.00 O ATOM 783 CB LYS A 34 -0.861 9.602 -0.458 1.00 0.00 C ATOM 784 CG LYS A 34 -0.762 11.112 -0.400 1.00 0.00 C ATOM 785 CD LYS A 34 0.417 11.589 -1.261 1.00 0.00 C ATOM 786 CE LYS A 34 1.749 10.993 -0.818 1.00 0.00 C ATOM 787 NZ LYS A 34 2.826 11.226 -1.817 1.00 0.00 N ATOM 0 H LYS A 34 -2.225 9.003 1.744 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.917 9.617 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.252 9.188 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.421 9.266 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.689 11.560 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.626 11.437 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.233 11.322 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.478 12.676 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.041 11.429 0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.630 9.922 -0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.753 11.155 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.761 10.512 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.718 12.175 -2.229 1.00 0.00 H new ATOM 801 N ILE A 35 -2.816 7.351 -1.929 1.00 0.00 N ATOM 802 CA ILE A 35 -2.659 6.104 -2.597 1.00 0.00 C ATOM 803 C ILE A 35 -1.464 6.354 -3.511 1.00 0.00 C ATOM 804 O ILE A 35 -1.629 6.890 -4.616 1.00 0.00 O ATOM 805 CB ILE A 35 -3.883 5.747 -3.495 1.00 0.00 C ATOM 806 CG1 ILE A 35 -5.243 6.040 -2.812 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.812 4.302 -3.907 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.541 5.266 -1.540 1.00 0.00 C ATOM 0 H ILE A 35 -3.438 8.009 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.546 5.286 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.829 6.389 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.287 7.105 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.037 5.835 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.670 4.060 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.893 4.128 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.821 3.670 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.519 5.558 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.540 4.198 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.779 5.486 -0.793 1.00 0.00 H new ATOM 820 N ASP A 36 -0.280 6.083 -3.019 1.00 0.00 N ATOM 821 CA ASP A 36 0.936 6.459 -3.731 1.00 0.00 C ATOM 822 C ASP A 36 1.507 5.217 -4.376 1.00 0.00 C ATOM 823 O ASP A 36 1.705 4.205 -3.714 1.00 0.00 O ATOM 824 CB ASP A 36 1.933 7.130 -2.740 1.00 0.00 C ATOM 825 CG ASP A 36 3.078 7.899 -3.393 1.00 0.00 C ATOM 826 OD1 ASP A 36 4.140 7.307 -3.666 1.00 0.00 O ATOM 827 OD2 ASP A 36 2.965 9.146 -3.556 1.00 0.00 O ATOM 0 H ASP A 36 -0.123 5.605 -2.132 1.00 0.00 H new ATOM 0 HA ASP A 36 0.729 7.188 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.378 7.813 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.355 6.359 -2.096 1.00 0.00 H new ATOM 832 N LEU A 37 1.688 5.258 -5.666 1.00 0.00 N ATOM 833 CA LEU A 37 2.134 4.160 -6.387 1.00 0.00 C ATOM 834 C LEU A 37 3.641 4.143 -6.357 1.00 0.00 C ATOM 835 O LEU A 37 4.309 5.118 -6.726 1.00 0.00 O ATOM 836 CB LEU A 37 1.590 4.267 -7.813 1.00 0.00 C ATOM 837 CG LEU A 37 1.657 3.036 -8.726 1.00 0.00 C ATOM 838 CD1 LEU A 37 3.066 2.690 -9.097 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.956 1.866 -8.091 1.00 0.00 C ATOM 0 H LEU A 37 1.518 6.088 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 37 1.779 3.224 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.545 4.571 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.126 5.076 -8.310 1.00 0.00 H new ATOM 0 HG LEU A 37 1.138 3.284 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.067 1.813 -9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.520 3.529 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.638 2.476 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.015 1.003 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.434 1.627 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.090 2.119 -7.917 1.00 0.00 H new ATOM 851 N VAL A 38 4.144 3.030 -5.961 1.00 0.00 N ATOM 852 CA VAL A 38 5.575 2.791 -5.831 1.00 0.00 C ATOM 853 C VAL A 38 5.867 1.354 -6.233 1.00 0.00 C ATOM 854 O VAL A 38 5.220 0.440 -5.743 1.00 0.00 O ATOM 855 CB VAL A 38 6.096 3.004 -4.364 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.591 2.721 -4.256 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.802 4.406 -3.853 1.00 0.00 C ATOM 0 H VAL A 38 3.573 2.224 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 38 6.084 3.508 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 38 5.556 2.292 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.918 2.878 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.788 1.689 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.137 3.394 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.179 4.509 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.290 5.138 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.726 4.577 -3.860 1.00 0.00 H new ATOM 867 N ASP A 39 6.774 1.185 -7.186 1.00 0.00 N ATOM 868 CA ASP A 39 7.293 -0.132 -7.657 1.00 0.00 C ATOM 869 C ASP A 39 6.172 -1.090 -8.125 1.00 0.00 C ATOM 870 O ASP A 39 6.328 -2.306 -8.186 1.00 0.00 O ATOM 871 CB ASP A 39 8.192 -0.774 -6.574 1.00 0.00 C ATOM 872 CG ASP A 39 8.906 -2.030 -7.047 1.00 0.00 C ATOM 873 OD1 ASP A 39 9.564 -2.001 -8.124 1.00 0.00 O ATOM 874 OD2 ASP A 39 8.822 -3.070 -6.353 1.00 0.00 O ATOM 0 H ASP A 39 7.194 1.973 -7.680 1.00 0.00 H new ATOM 0 HA ASP A 39 7.902 0.056 -8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.934 -0.044 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.582 -1.018 -5.704 1.00 0.00 H new ATOM 879 N GLY A 40 5.062 -0.527 -8.490 1.00 0.00 N ATOM 880 CA GLY A 40 3.978 -1.322 -8.987 1.00 0.00 C ATOM 881 C GLY A 40 3.080 -1.864 -7.902 1.00 0.00 C ATOM 882 O GLY A 40 2.311 -2.794 -8.140 1.00 0.00 O ATOM 0 H GLY A 40 4.881 0.476 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.382 -0.721 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.383 -2.155 -9.562 1.00 0.00 H new ATOM 886 N LYS A 41 3.203 -1.356 -6.707 1.00 0.00 N ATOM 887 CA LYS A 41 2.281 -1.716 -5.657 1.00 0.00 C ATOM 888 C LYS A 41 1.665 -0.468 -5.104 1.00 0.00 C ATOM 889 O LYS A 41 2.228 0.630 -5.261 1.00 0.00 O ATOM 890 CB LYS A 41 2.891 -2.580 -4.515 1.00 0.00 C ATOM 891 CG LYS A 41 4.070 -1.977 -3.743 1.00 0.00 C ATOM 892 CD LYS A 41 5.440 -2.319 -4.335 1.00 0.00 C ATOM 893 CE LYS A 41 5.740 -3.806 -4.218 1.00 0.00 C ATOM 894 NZ LYS A 41 7.127 -4.143 -4.607 1.00 0.00 N ATOM 0 H LYS A 41 3.929 -0.694 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 41 1.527 -2.358 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.099 -2.807 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.216 -3.528 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.957 -0.893 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.033 -2.327 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.469 -2.022 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.213 -1.749 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.567 -4.127 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.046 -4.363 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.126 -5.013 -5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.530 -3.364 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.701 -4.290 -3.752 1.00 0.00 H new ATOM 908 N LEU A 42 0.525 -0.603 -4.487 1.00 0.00 N ATOM 909 CA LEU A 42 -0.138 0.538 -3.928 1.00 0.00 C ATOM 910 C LEU A 42 0.290 0.701 -2.519 1.00 0.00 C ATOM 911 O LEU A 42 0.168 -0.205 -1.690 1.00 0.00 O ATOM 912 CB LEU A 42 -1.662 0.465 -4.063 1.00 0.00 C ATOM 913 CG LEU A 42 -2.211 0.464 -5.486 1.00 0.00 C ATOM 914 CD1 LEU A 42 -3.619 -0.108 -5.497 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.259 1.869 -6.087 1.00 0.00 C ATOM 0 H LEU A 42 0.038 -1.490 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 42 0.155 1.421 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.008 -0.439 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.095 1.311 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.537 -0.148 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.005 -0.106 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.599 -1.130 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.264 0.501 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.657 1.818 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.901 2.504 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.253 2.288 -6.113 1.00 0.00 H new ATOM 927 N ILE A 43 0.846 1.809 -2.284 1.00 0.00 N ATOM 928 CA ILE A 43 1.371 2.150 -1.007 1.00 0.00 C ATOM 929 C ILE A 43 0.398 3.062 -0.316 1.00 0.00 C ATOM 930 O ILE A 43 0.006 4.105 -0.854 1.00 0.00 O ATOM 931 CB ILE A 43 2.722 2.849 -1.166 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.721 1.978 -1.917 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.283 3.358 0.145 1.00 0.00 C ATOM 934 CD1 ILE A 43 4.042 0.647 -1.277 1.00 0.00 C ATOM 0 H ILE A 43 0.961 2.540 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 43 1.517 1.247 -0.414 1.00 0.00 H new ATOM 0 HB ILE A 43 2.539 3.734 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.333 1.794 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.649 2.538 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.242 3.844 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.589 4.075 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.422 2.522 0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.762 0.110 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.466 0.812 -0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.130 0.057 -1.187 1.00 0.00 H new ATOM 946 N ILE A 44 -0.011 2.663 0.838 1.00 0.00 N ATOM 947 CA ILE A 44 -0.956 3.424 1.601 1.00 0.00 C ATOM 948 C ILE A 44 -0.253 4.084 2.779 1.00 0.00 C ATOM 949 O ILE A 44 0.095 3.429 3.771 1.00 0.00 O ATOM 950 CB ILE A 44 -2.124 2.543 2.118 1.00 0.00 C ATOM 951 CG1 ILE A 44 -2.818 1.784 0.965 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.143 3.368 2.916 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.414 2.668 -0.112 1.00 0.00 C ATOM 0 H ILE A 44 0.297 1.800 1.286 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.377 4.185 0.944 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.690 1.804 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.094 1.112 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.609 1.162 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.946 2.718 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.650 3.824 3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.557 4.149 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.878 2.046 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.166 3.323 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.627 3.272 -0.564 1.00 0.00 H new ATOM 965 N GLU A 45 -0.034 5.352 2.638 1.00 0.00 N ATOM 966 CA GLU A 45 0.558 6.192 3.657 1.00 0.00 C ATOM 967 C GLU A 45 -0.499 7.240 3.939 1.00 0.00 C ATOM 968 O GLU A 45 -1.089 7.787 2.981 1.00 0.00 O ATOM 969 CB GLU A 45 1.834 6.866 3.083 1.00 0.00 C ATOM 970 CG GLU A 45 2.581 7.857 3.989 1.00 0.00 C ATOM 971 CD GLU A 45 3.330 7.218 5.140 1.00 0.00 C ATOM 972 OE1 GLU A 45 4.366 6.570 4.897 1.00 0.00 O ATOM 973 OE2 GLU A 45 2.962 7.435 6.307 1.00 0.00 O ATOM 0 H GLU A 45 -0.267 5.859 1.784 1.00 0.00 H new ATOM 0 HA GLU A 45 0.846 5.642 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.532 6.078 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.555 7.390 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.288 8.422 3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.864 8.572 4.392 1.00 0.00 H new ATOM 980 N PRO A 46 -0.811 7.544 5.190 1.00 0.00 N ATOM 981 CA PRO A 46 -1.825 8.469 5.473 1.00 0.00 C ATOM 982 C PRO A 46 -1.279 9.870 5.350 1.00 0.00 C ATOM 983 O PRO A 46 -0.050 10.086 5.320 1.00 0.00 O ATOM 984 CB PRO A 46 -2.252 8.150 6.909 1.00 0.00 C ATOM 985 CG PRO A 46 -1.337 7.072 7.361 1.00 0.00 C ATOM 986 CD PRO A 46 -0.168 7.098 6.413 1.00 0.00 C ATOM 0 HA PRO A 46 -2.670 8.406 4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.170 9.029 7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.292 7.825 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.011 7.241 8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.835 6.103 7.340 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.614 7.783 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.294 6.117 6.302 1.00 0.00 H new ATOM 994 N VAL A 47 -2.135 10.800 5.294 1.00 0.00 N ATOM 995 CA VAL A 47 -1.704 12.154 5.144 1.00 0.00 C ATOM 996 C VAL A 47 -1.629 12.712 6.511 1.00 0.00 C ATOM 997 O VAL A 47 -2.652 12.945 7.158 1.00 0.00 O ATOM 998 CB VAL A 47 -2.617 13.037 4.263 1.00 0.00 C ATOM 999 CG1 VAL A 47 -1.999 14.383 4.060 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -2.869 12.424 2.918 1.00 0.00 C ATOM 0 H VAL A 47 -3.145 10.668 5.348 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.747 12.153 4.621 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.567 13.128 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.653 14.994 3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.860 14.869 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.033 14.269 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.515 13.080 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.922 12.290 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.354 11.456 3.044 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.584 9.510 -5.127 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.968 9.893 -5.223 1.00 0.00 C ATOM 1353 C ILE B 2 -4.507 10.172 -3.830 1.00 0.00 C ATOM 1354 O ILE B 2 -4.494 9.287 -2.968 1.00 0.00 O ATOM 1355 CB ILE B 2 -4.812 8.779 -5.907 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -4.205 8.424 -7.278 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -6.267 9.230 -6.064 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -4.910 7.294 -8.007 1.00 0.00 C ATOM 0 HA ILE B 2 -4.041 10.792 -5.835 1.00 0.00 H new ATOM 0 HB ILE B 2 -4.796 7.890 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -4.222 9.312 -7.909 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -3.159 8.152 -7.138 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -6.843 8.439 -6.544 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -6.690 9.442 -5.082 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -6.305 10.130 -6.678 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -4.416 7.113 -8.961 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -4.871 6.389 -7.400 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -5.950 7.568 -8.183 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.917 11.394 -3.595 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.488 11.777 -2.329 1.00 0.00 C ATOM 1372 C HIS B 3 -6.900 11.247 -2.262 1.00 0.00 C ATOM 1373 O HIS B 3 -7.794 11.696 -2.978 1.00 0.00 O ATOM 1374 CB HIS B 3 -5.439 13.300 -2.128 1.00 0.00 C ATOM 1375 CG HIS B 3 -4.046 13.865 -2.002 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -3.390 14.544 -3.009 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -3.191 13.854 -0.949 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -2.190 14.914 -2.555 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -2.015 14.520 -1.304 1.00 0.00 N ATOM 0 H HIS B 3 -4.864 12.151 -4.277 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.903 11.345 -1.517 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.939 13.782 -2.968 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -6.004 13.555 -1.232 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -3.388 13.402 0.012 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -1.460 15.462 -3.132 1.00 0.00 H new ATOM 0 HE2 HIS B 3 -1.192 14.671 -0.720 1.00 0.00 H new ATOM 1387 N SER B 4 -7.064 10.257 -1.459 1.00 0.00 N ATOM 1388 CA SER B 4 -8.294 9.541 -1.336 1.00 0.00 C ATOM 1389 C SER B 4 -9.043 9.991 -0.093 1.00 0.00 C ATOM 1390 O SER B 4 -8.799 11.083 0.436 1.00 0.00 O ATOM 1391 CB SER B 4 -7.930 8.073 -1.211 1.00 0.00 C ATOM 1392 OG SER B 4 -7.074 7.901 -0.127 1.00 0.00 O ATOM 0 H SER B 4 -6.326 9.908 -0.848 1.00 0.00 H new ATOM 0 HA SER B 4 -8.937 9.721 -2.198 1.00 0.00 H new ATOM 0 HB2 SER B 4 -8.830 7.474 -1.076 1.00 0.00 H new ATOM 0 HB3 SER B 4 -7.450 7.726 -2.126 1.00 0.00 H new ATOM 0 HG SER B 4 -6.263 8.434 -0.263 1.00 0.00 H new ATOM 1398 N SER B 5 -9.931 9.150 0.351 1.00 0.00 N ATOM 1399 CA SER B 5 -10.694 9.338 1.528 1.00 0.00 C ATOM 1400 C SER B 5 -11.307 8.004 1.899 1.00 0.00 C ATOM 1401 O SER B 5 -11.895 7.321 1.055 1.00 0.00 O ATOM 1402 CB SER B 5 -11.751 10.439 1.337 1.00 0.00 C ATOM 1403 OG SER B 5 -12.492 10.247 0.141 1.00 0.00 O ATOM 0 H SER B 5 -10.145 8.276 -0.129 1.00 0.00 H new ATOM 0 HA SER B 5 -10.059 9.680 2.345 1.00 0.00 H new ATOM 0 HB2 SER B 5 -12.430 10.445 2.190 1.00 0.00 H new ATOM 0 HB3 SER B 5 -11.263 11.413 1.311 1.00 0.00 H new ATOM 0 HG SER B 5 -12.968 11.073 -0.085 1.00 0.00 H new ATOM 1409 N VAL B 6 -11.079 7.587 3.106 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.639 6.342 3.589 1.00 0.00 C ATOM 1411 C VAL B 6 -13.073 6.582 3.946 1.00 0.00 C ATOM 1412 O VAL B 6 -13.363 7.316 4.871 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.870 5.812 4.815 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.443 4.485 5.291 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.415 5.662 4.468 1.00 0.00 C ATOM 0 H VAL B 6 -10.507 8.087 3.786 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.558 5.587 2.807 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.975 6.529 5.629 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.881 4.135 6.157 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.489 4.619 5.567 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.370 3.749 4.490 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.871 5.287 5.335 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.309 4.960 3.641 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -9.009 6.630 4.176 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.960 6.006 3.218 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.345 6.254 3.431 1.00 0.00 C ATOM 1427 C LYS B 7 -15.961 5.093 4.211 1.00 0.00 C ATOM 1428 O LYS B 7 -15.292 4.086 4.477 1.00 0.00 O ATOM 1429 CB LYS B 7 -16.049 6.495 2.094 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.565 7.712 1.306 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.952 9.018 1.981 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.608 10.207 1.094 1.00 0.00 C ATOM 1433 NZ LYS B 7 -16.088 11.492 1.653 1.00 0.00 N ATOM 0 H LYS B 7 -13.752 5.353 2.462 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.473 7.157 4.028 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.924 5.608 1.472 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -17.117 6.606 2.280 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.481 7.667 1.198 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -15.986 7.684 0.301 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -17.020 9.018 2.199 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.432 9.108 2.935 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.527 10.255 0.959 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -16.046 10.058 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -16.093 12.215 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -17.052 11.371 2.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.456 11.793 2.422 1.00 0.00 H new ATOM 1447 N ARG B 8 -17.195 5.230 4.583 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.859 4.249 5.404 1.00 0.00 C ATOM 1449 C ARG B 8 -18.889 3.449 4.607 1.00 0.00 C ATOM 1450 O ARG B 8 -19.907 3.987 4.159 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.510 4.943 6.596 1.00 0.00 C ATOM 1452 CG ARG B 8 -19.292 4.035 7.509 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.786 4.800 8.711 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.689 5.158 9.627 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.493 6.359 10.192 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -19.185 7.424 9.792 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -17.561 6.494 11.125 1.00 0.00 N ATOM 0 H ARG B 8 -17.779 6.027 4.328 1.00 0.00 H new ATOM 0 HA ARG B 8 -17.115 3.538 5.764 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.733 5.438 7.178 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -19.176 5.722 6.225 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -20.137 3.606 6.970 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -18.665 3.204 7.831 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.293 5.707 8.380 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -20.523 4.200 9.245 1.00 0.00 H new ATOM 0 HE ARG B 8 -18.016 4.425 9.852 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -19.875 7.333 9.046 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -19.025 8.331 10.231 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.001 5.689 11.407 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.404 7.403 11.561 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.605 2.182 4.427 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.473 1.259 3.725 1.00 0.00 C ATOM 1473 C TRP B 9 -20.144 0.401 4.781 1.00 0.00 C ATOM 1474 O TRP B 9 -19.524 -0.512 5.347 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.619 0.420 2.759 1.00 0.00 C ATOM 1476 CG TRP B 9 -19.325 -0.528 1.824 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.657 -0.625 1.569 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.701 -1.510 0.969 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.882 -1.575 0.628 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.729 -2.146 0.267 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.380 -1.922 0.728 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.503 -3.150 -0.639 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -17.163 -2.916 -0.178 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.230 -3.525 -0.843 1.00 0.00 C ATOM 0 H TRP B 9 -17.746 1.752 4.771 1.00 0.00 H new ATOM 0 HA TRP B 9 -20.235 1.766 3.133 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -18.029 1.108 2.153 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.917 -0.162 3.355 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.423 -0.032 2.046 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.798 -1.818 0.251 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.554 -1.461 1.250 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.318 -3.621 -1.168 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -16.153 -3.237 -0.385 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -18.025 -4.322 -1.543 1.00 0.00 H new ATOM 1495 N GLY B 10 -21.366 0.764 5.120 1.00 0.00 N ATOM 1496 CA GLY B 10 -22.061 0.104 6.175 1.00 0.00 C ATOM 1497 C GLY B 10 -21.501 0.610 7.464 1.00 0.00 C ATOM 1498 O GLY B 10 -21.538 1.816 7.719 1.00 0.00 O ATOM 0 H GLY B 10 -21.888 1.516 4.670 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -23.130 0.306 6.115 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.936 -0.976 6.100 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.965 -0.262 8.256 1.00 0.00 N ATOM 1503 CA ASN B 11 -20.264 0.155 9.450 1.00 0.00 C ATOM 1504 C ASN B 11 -18.778 -0.208 9.352 1.00 0.00 C ATOM 1505 O ASN B 11 -18.120 -0.446 10.378 1.00 0.00 O ATOM 1506 CB ASN B 11 -20.888 -0.452 10.724 1.00 0.00 C ATOM 1507 CG ASN B 11 -22.295 0.051 10.992 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -22.486 1.106 11.608 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -23.283 -0.710 10.580 1.00 0.00 N ATOM 0 H ASN B 11 -20.994 -1.271 8.106 1.00 0.00 H new ATOM 0 HA ASN B 11 -20.359 1.238 9.525 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -20.908 -1.538 10.631 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -20.255 -0.217 11.580 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -24.248 -0.437 10.765 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -23.085 -1.574 10.075 1.00 0.00 H new ATOM 1516 N SER B 12 -18.226 -0.206 8.133 1.00 0.00 N ATOM 1517 CA SER B 12 -16.876 -0.595 7.927 1.00 0.00 C ATOM 1518 C SER B 12 -16.173 0.404 7.013 1.00 0.00 C ATOM 1519 O SER B 12 -16.751 0.868 6.024 1.00 0.00 O ATOM 1520 CB SER B 12 -16.815 -2.001 7.326 1.00 0.00 C ATOM 1521 OG SER B 12 -17.430 -2.951 8.184 1.00 0.00 O ATOM 0 H SER B 12 -18.720 0.068 7.284 1.00 0.00 H new ATOM 0 HA SER B 12 -16.364 -0.606 8.889 1.00 0.00 H new ATOM 0 HB2 SER B 12 -17.312 -2.007 6.356 1.00 0.00 H new ATOM 0 HB3 SER B 12 -15.776 -2.281 7.153 1.00 0.00 H new ATOM 0 HG SER B 12 -17.379 -3.841 7.777 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.964 0.793 7.381 1.00 0.00 N ATOM 1528 CA PRO B 13 -14.137 1.672 6.571 1.00 0.00 C ATOM 1529 C PRO B 13 -13.699 0.988 5.274 1.00 0.00 C ATOM 1530 O PRO B 13 -13.161 -0.136 5.284 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.930 1.984 7.462 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.923 0.935 8.521 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.325 0.425 8.646 1.00 0.00 C ATOM 0 HA PRO B 13 -14.672 2.570 6.263 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -12.004 1.965 6.887 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -13.013 2.979 7.898 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -12.241 0.126 8.257 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.577 1.347 9.469 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -14.342 -0.654 8.800 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.837 0.877 9.495 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.943 1.646 4.179 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.617 1.138 2.888 1.00 0.00 C ATOM 1543 C ALA B 14 -13.088 2.262 2.026 1.00 0.00 C ATOM 1544 O ALA B 14 -13.610 3.383 2.060 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.846 0.506 2.244 1.00 0.00 C ATOM 0 H ALA B 14 -14.382 2.567 4.163 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.850 0.370 2.985 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.583 0.122 1.258 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.204 -0.312 2.869 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.631 1.256 2.144 1.00 0.00 H new ATOM 1551 N VAL B 15 -12.056 1.992 1.289 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.494 2.986 0.415 1.00 0.00 C ATOM 1553 C VAL B 15 -11.790 2.595 -1.023 1.00 0.00 C ATOM 1554 O VAL B 15 -11.794 1.403 -1.361 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.955 3.192 0.653 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -9.128 1.970 0.268 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.444 4.448 -0.047 1.00 0.00 C ATOM 0 H VAL B 15 -11.581 1.090 1.272 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.958 3.948 0.635 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.827 3.328 1.727 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -8.073 2.171 0.454 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -9.445 1.114 0.864 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -9.274 1.750 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.376 4.559 0.139 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.619 4.363 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.972 5.320 0.339 1.00 0.00 H new ATOM 1567 N ARG B 16 -12.102 3.573 -1.832 1.00 0.00 N ATOM 1568 CA ARG B 16 -12.413 3.356 -3.221 1.00 0.00 C ATOM 1569 C ARG B 16 -11.151 3.309 -4.054 1.00 0.00 C ATOM 1570 O ARG B 16 -10.384 4.278 -4.091 1.00 0.00 O ATOM 1571 CB ARG B 16 -13.352 4.445 -3.717 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.720 4.335 -3.109 1.00 0.00 C ATOM 1573 CD ARG B 16 -15.632 5.447 -3.543 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.995 5.257 -3.007 1.00 0.00 N ATOM 1575 CZ ARG B 16 -18.038 6.073 -3.233 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -17.867 7.209 -3.888 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -19.251 5.755 -2.777 1.00 0.00 N ATOM 0 H ARG B 16 -12.148 4.550 -1.544 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.912 2.392 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.929 5.422 -3.482 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -13.433 4.386 -4.802 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -15.162 3.378 -3.386 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.633 4.343 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -15.234 6.402 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -15.668 5.488 -4.632 1.00 0.00 H new ATOM 0 HE ARG B 16 -17.158 4.440 -2.418 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -16.940 7.469 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -18.662 7.825 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -19.389 4.890 -2.255 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -20.040 6.377 -2.951 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.939 2.200 -4.708 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.778 2.020 -5.539 1.00 0.00 C ATOM 1593 C ILE B 17 -10.144 2.394 -6.974 1.00 0.00 C ATOM 1594 O ILE B 17 -11.176 1.958 -7.478 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.188 0.543 -5.495 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.501 0.203 -4.169 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.211 0.281 -6.608 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -9.413 -0.172 -3.075 1.00 0.00 C ATOM 0 H ILE B 17 -11.565 1.395 -4.681 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.993 2.669 -5.150 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.063 -0.097 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.804 -0.617 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.911 1.063 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.838 -0.740 -6.532 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.709 0.415 -7.568 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.377 0.978 -6.531 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.834 -0.395 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -10.095 0.653 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.986 -1.053 -3.365 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.344 3.256 -7.624 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.568 3.624 -9.013 1.00 0.00 C ATOM 1612 C PRO B 18 -9.521 2.395 -9.917 1.00 0.00 C ATOM 1613 O PRO B 18 -8.545 1.610 -9.882 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.407 4.581 -9.347 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.409 4.381 -8.257 1.00 0.00 C ATOM 1616 CD PRO B 18 -8.181 3.941 -7.051 1.00 0.00 C ATOM 0 HA PRO B 18 -10.546 4.080 -9.165 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.976 4.352 -10.322 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.748 5.616 -9.384 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.670 3.631 -8.540 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -6.865 5.304 -8.054 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.594 3.275 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.478 4.788 -6.433 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.559 2.232 -10.727 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.692 1.101 -11.641 1.00 0.00 C ATOM 1626 C ALA B 19 -9.503 1.020 -12.596 1.00 0.00 C ATOM 1627 O ALA B 19 -9.121 -0.062 -13.037 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.996 1.199 -12.417 1.00 0.00 C ATOM 0 H ALA B 19 -11.340 2.886 -10.770 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.706 0.187 -11.048 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -12.081 0.349 -13.094 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.835 1.194 -11.721 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -12.008 2.124 -12.993 1.00 0.00 H new ATOM 1634 N THR B 20 -8.910 2.164 -12.869 1.00 0.00 N ATOM 1635 CA THR B 20 -7.740 2.276 -13.707 1.00 0.00 C ATOM 1636 C THR B 20 -6.572 1.430 -13.123 1.00 0.00 C ATOM 1637 O THR B 20 -5.868 0.744 -13.846 1.00 0.00 O ATOM 1638 CB THR B 20 -7.326 3.756 -13.765 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.505 4.557 -13.973 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.351 4.006 -14.899 1.00 0.00 C ATOM 0 H THR B 20 -9.237 3.059 -12.505 1.00 0.00 H new ATOM 0 HA THR B 20 -7.968 1.905 -14.706 1.00 0.00 H new ATOM 0 HB THR B 20 -6.838 4.021 -12.827 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.255 5.504 -14.010 1.00 0.00 H new ATOM 0 HG21 THR B 20 -6.076 5.060 -14.916 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.457 3.400 -14.751 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.818 3.738 -15.846 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.439 1.439 -11.801 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.364 0.717 -11.109 1.00 0.00 C ATOM 1650 C LEU B 21 -5.684 -0.722 -10.998 1.00 0.00 C ATOM 1651 O LEU B 21 -4.802 -1.569 -11.026 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.109 1.295 -9.729 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.205 2.509 -9.658 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.763 2.112 -9.944 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.641 3.581 -10.631 1.00 0.00 C ATOM 0 H LEU B 21 -7.068 1.943 -11.176 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.458 0.834 -11.704 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.070 1.560 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.677 0.512 -9.106 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.276 2.915 -8.649 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -2.125 2.994 -9.890 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.434 1.380 -9.206 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.696 1.677 -10.941 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.971 4.437 -10.553 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.609 3.186 -11.646 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.658 3.894 -10.396 1.00 0.00 H new ATOM 1667 N MET B 22 -6.948 -0.989 -10.866 1.00 0.00 N ATOM 1668 CA MET B 22 -7.463 -2.364 -10.859 1.00 0.00 C ATOM 1669 C MET B 22 -6.995 -3.081 -12.099 1.00 0.00 C ATOM 1670 O MET B 22 -6.464 -4.186 -12.047 1.00 0.00 O ATOM 1671 CB MET B 22 -8.985 -2.372 -10.807 1.00 0.00 C ATOM 1672 CG MET B 22 -9.580 -1.848 -9.520 1.00 0.00 C ATOM 1673 SD MET B 22 -9.329 -2.949 -8.136 1.00 0.00 S ATOM 1674 CE MET B 22 -10.261 -4.360 -8.717 1.00 0.00 C ATOM 0 H MET B 22 -7.668 -0.274 -10.759 1.00 0.00 H new ATOM 0 HA MET B 22 -7.085 -2.873 -9.972 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.366 -1.775 -11.636 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.334 -3.393 -10.963 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.138 -0.878 -9.290 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.649 -1.687 -9.660 1.00 0.00 H new ATOM 0 HE1 MET B 22 -10.413 -5.059 -7.895 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.228 -4.027 -9.094 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.711 -4.855 -9.517 1.00 0.00 H new ATOM 1684 N GLN B 23 -7.169 -2.416 -13.192 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.717 -2.884 -14.478 1.00 0.00 C ATOM 1686 C GLN B 23 -5.198 -2.854 -14.583 1.00 0.00 C ATOM 1687 O GLN B 23 -4.593 -3.727 -15.199 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.294 -2.011 -15.554 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.793 -2.030 -15.586 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.371 -1.129 -16.646 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.791 -0.103 -16.993 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.521 -1.478 -17.148 1.00 0.00 N ATOM 0 H GLN B 23 -7.639 -1.511 -13.227 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.050 -3.915 -14.597 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.953 -0.987 -15.404 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.912 -2.336 -16.522 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -9.134 -3.051 -15.759 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.176 -1.727 -14.611 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -10.974 -2.337 -16.836 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.969 -0.892 -17.853 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.585 -1.875 -13.944 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.129 -1.681 -14.062 1.00 0.00 C ATOM 1703 C ALA B 24 -2.353 -2.790 -13.362 1.00 0.00 C ATOM 1704 O ALA B 24 -1.309 -3.239 -13.836 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.708 -0.319 -13.527 1.00 0.00 C ATOM 0 H ALA B 24 -5.056 -1.201 -13.340 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.888 -1.723 -15.124 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.629 -0.206 -13.628 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.209 0.465 -14.094 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.984 -0.240 -12.476 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.883 -3.238 -12.264 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.254 -4.270 -11.466 1.00 0.00 C ATOM 1713 C LEU B 25 -2.811 -5.634 -11.831 1.00 0.00 C ATOM 1714 O LEU B 25 -2.234 -6.672 -11.496 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.512 -3.976 -10.011 1.00 0.00 C ATOM 1716 CG LEU B 25 -2.007 -2.632 -9.523 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.485 -2.395 -8.130 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.496 -2.573 -9.579 1.00 0.00 C ATOM 0 H LEU B 25 -3.769 -2.902 -11.887 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.181 -4.280 -11.658 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.586 -4.029 -9.831 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.049 -4.759 -9.411 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.398 -1.851 -10.175 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -2.122 -1.429 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.575 -2.400 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.108 -3.182 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.156 -1.600 -9.224 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.078 -3.356 -8.946 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.164 -2.721 -10.607 1.00 0.00 H new ATOM 1730 N ASN B 26 -3.925 -5.595 -12.531 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.675 -6.755 -13.003 1.00 0.00 C ATOM 1732 C ASN B 26 -5.291 -7.557 -11.859 1.00 0.00 C ATOM 1733 O ASN B 26 -4.803 -8.645 -11.472 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.891 -7.659 -13.978 1.00 0.00 C ATOM 1735 CG ASN B 26 -4.772 -8.743 -14.593 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -5.970 -8.550 -14.791 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -4.200 -9.875 -14.901 1.00 0.00 N ATOM 0 H ASN B 26 -4.359 -4.713 -12.803 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.494 -6.336 -13.587 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -3.462 -7.048 -14.772 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -3.059 -8.125 -13.450 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -4.749 -10.627 -15.317 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -3.204 -10.007 -14.726 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.281 -6.959 -11.246 1.00 0.00 N ATOM 1745 CA LEU B 27 -7.074 -7.575 -10.276 1.00 0.00 C ATOM 1746 C LEU B 27 -8.525 -7.274 -10.578 1.00 0.00 C ATOM 1747 O LEU B 27 -8.838 -6.318 -11.305 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.736 -7.123 -8.877 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.864 -5.649 -8.556 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.190 -5.508 -7.107 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.567 -4.936 -8.834 1.00 0.00 C ATOM 0 H LEU B 27 -6.547 -5.992 -11.434 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.883 -8.647 -10.314 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.375 -7.672 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.709 -7.422 -8.668 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.648 -5.212 -9.175 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.286 -4.451 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.129 -6.018 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.393 -5.951 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.676 -3.877 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.777 -5.365 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.308 -5.048 -9.887 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.394 -8.065 -10.040 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.820 -7.939 -10.278 1.00 0.00 C ATOM 1765 C ASN B 28 -11.547 -7.856 -8.948 1.00 0.00 C ATOM 1766 O ASN B 28 -10.918 -7.732 -7.901 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.349 -9.155 -11.071 1.00 0.00 C ATOM 1768 CG ASN B 28 -10.735 -9.349 -12.460 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -10.636 -10.475 -12.947 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -10.320 -8.281 -13.099 1.00 0.00 N ATOM 0 H ASN B 28 -9.145 -8.830 -9.413 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.998 -7.035 -10.860 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -11.170 -10.056 -10.484 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -12.429 -9.055 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -9.902 -8.371 -14.025 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -10.415 -7.361 -12.670 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.856 -7.902 -8.984 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.647 -7.921 -7.772 1.00 0.00 C ATOM 1779 C ILE B 29 -13.598 -9.324 -7.155 1.00 0.00 C ATOM 1780 O ILE B 29 -13.548 -10.326 -7.882 1.00 0.00 O ATOM 1781 CB ILE B 29 -15.124 -7.478 -8.036 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.184 -6.002 -8.473 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -16.024 -7.713 -6.824 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.697 -5.005 -7.437 1.00 0.00 C ATOM 0 H ILE B 29 -13.402 -7.927 -9.845 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.222 -7.203 -7.071 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.502 -8.101 -8.847 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.589 -5.882 -9.378 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.214 -5.758 -8.734 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -17.039 -7.390 -7.056 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -16.029 -8.774 -6.575 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.647 -7.143 -5.975 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.778 -3.995 -7.838 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -15.306 -5.088 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.656 -5.215 -7.191 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.558 -9.359 -5.826 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.495 -10.567 -4.991 1.00 0.00 C ATOM 1798 C ASP B 30 -12.126 -11.205 -5.123 1.00 0.00 C ATOM 1799 O ASP B 30 -11.923 -12.391 -4.877 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.636 -11.556 -5.302 1.00 0.00 C ATOM 1801 CG ASP B 30 -14.764 -12.652 -4.253 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -14.684 -12.345 -3.051 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -15.024 -13.819 -4.613 1.00 0.00 O ATOM 0 H ASP B 30 -13.569 -8.505 -5.269 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.641 -10.275 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -15.577 -11.010 -5.368 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.462 -12.010 -6.277 1.00 0.00 H new ATOM 1808 N ASP B 31 -11.168 -10.377 -5.458 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.820 -10.813 -5.623 1.00 0.00 C ATOM 1810 C ASP B 31 -9.112 -10.560 -4.331 1.00 0.00 C ATOM 1811 O ASP B 31 -9.252 -9.479 -3.732 1.00 0.00 O ATOM 1812 CB ASP B 31 -9.157 -10.058 -6.759 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.890 -10.715 -7.275 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -6.812 -10.521 -6.720 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -7.969 -11.441 -8.284 1.00 0.00 O ATOM 0 H ASP B 31 -11.310 -9.380 -5.622 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.783 -11.873 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.866 -9.962 -7.581 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.920 -9.049 -6.423 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.416 -11.537 -3.898 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.744 -11.543 -2.654 1.00 0.00 C ATOM 1822 C GLU B 32 -6.416 -10.820 -2.781 1.00 0.00 C ATOM 1823 O GLU B 32 -5.628 -11.105 -3.690 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.555 -13.004 -2.248 1.00 0.00 C ATOM 1825 CG GLU B 32 -6.689 -13.246 -1.043 1.00 0.00 C ATOM 1826 CD GLU B 32 -6.453 -14.716 -0.822 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -5.707 -15.335 -1.615 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -7.040 -15.299 0.124 1.00 0.00 O ATOM 0 H GLU B 32 -8.291 -12.400 -4.426 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.318 -11.021 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.537 -13.438 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -7.126 -13.543 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -5.733 -12.738 -1.172 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.162 -12.815 -0.161 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.185 -9.851 -1.911 1.00 0.00 N ATOM 1836 CA VAL B 33 -4.921 -9.145 -1.916 1.00 0.00 C ATOM 1837 C VAL B 33 -4.366 -9.147 -0.510 1.00 0.00 C ATOM 1838 O VAL B 33 -5.139 -9.270 0.457 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.015 -7.659 -2.464 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.010 -7.540 -3.584 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -5.318 -6.624 -1.383 1.00 0.00 C ATOM 0 H VAL B 33 -6.849 -9.540 -1.202 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.259 -9.669 -2.605 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.019 -7.436 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.045 -6.507 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.711 -8.190 -4.407 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -6.996 -7.836 -3.227 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.367 -5.632 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.274 -6.857 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -4.530 -6.643 -0.630 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.068 -9.050 -0.368 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.523 -8.950 0.953 1.00 0.00 C ATOM 1853 C LYS B 34 -2.474 -7.527 1.406 1.00 0.00 C ATOM 1854 O LYS B 34 -1.949 -6.657 0.705 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.117 -9.513 1.104 1.00 0.00 C ATOM 1856 CG LYS B 34 -0.967 -11.004 0.949 1.00 0.00 C ATOM 1857 CD LYS B 34 0.261 -11.483 1.725 1.00 0.00 C ATOM 1858 CE LYS B 34 1.553 -10.786 1.286 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.689 -11.067 2.204 1.00 0.00 N ATOM 0 H LYS B 34 -2.389 -9.039 -1.129 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.198 -9.551 1.562 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.475 -9.028 0.369 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.742 -9.233 2.089 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.861 -11.509 1.316 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -0.866 -11.261 -0.105 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.103 -11.308 2.789 1.00 0.00 H new ATOM 0 HD3 LYS B 34 0.371 -12.559 1.592 1.00 0.00 H new ATOM 0 HE2 LYS B 34 1.814 -11.111 0.279 1.00 0.00 H new ATOM 0 HE3 LYS B 34 1.384 -9.710 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 3.586 -10.859 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 2.606 -10.470 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 2.670 -12.069 2.483 1.00 0.00 H new ATOM 1873 N ILE B 35 -3.043 -7.292 2.541 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.882 -6.048 3.216 1.00 0.00 C ATOM 1875 C ILE B 35 -1.707 -6.317 4.147 1.00 0.00 C ATOM 1876 O ILE B 35 -1.896 -6.874 5.238 1.00 0.00 O ATOM 1877 CB ILE B 35 -4.122 -5.686 4.093 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.464 -5.950 3.373 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -4.045 -4.247 4.538 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.711 -5.160 2.100 1.00 0.00 C ATOM 0 H ILE B 35 -3.637 -7.962 3.029 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.746 -5.226 2.513 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.095 -6.341 4.964 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.521 -7.012 3.133 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.274 -5.737 4.070 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.916 -4.008 5.149 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -3.138 -4.095 5.124 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -4.025 -3.596 3.664 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.683 -5.431 1.687 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.697 -4.094 2.325 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -4.931 -5.388 1.373 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.514 -6.045 3.683 1.00 0.00 N ATOM 1893 CA ASP B 36 0.680 -6.437 4.415 1.00 0.00 C ATOM 1894 C ASP B 36 1.269 -5.206 5.072 1.00 0.00 C ATOM 1895 O ASP B 36 1.476 -4.186 4.415 1.00 0.00 O ATOM 1896 CB ASP B 36 1.680 -7.133 3.440 1.00 0.00 C ATOM 1897 CG ASP B 36 2.784 -7.929 4.122 1.00 0.00 C ATOM 1898 OD1 ASP B 36 3.811 -7.338 4.516 1.00 0.00 O ATOM 1899 OD2 ASP B 36 2.680 -9.191 4.206 1.00 0.00 O ATOM 0 H ASP B 36 -0.336 -5.556 2.806 1.00 0.00 H new ATOM 0 HA ASP B 36 0.444 -7.156 5.200 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.121 -7.801 2.784 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.137 -6.373 2.807 1.00 0.00 H new ATOM 1904 N LEU B 37 1.463 -5.258 6.369 1.00 0.00 N ATOM 1905 CA LEU B 37 1.932 -4.168 7.094 1.00 0.00 C ATOM 1906 C LEU B 37 3.441 -4.170 7.067 1.00 0.00 C ATOM 1907 O LEU B 37 4.105 -5.133 7.481 1.00 0.00 O ATOM 1908 CB LEU B 37 1.392 -4.261 8.520 1.00 0.00 C ATOM 1909 CG LEU B 37 1.500 -3.028 9.425 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.927 -2.733 9.801 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.850 -1.837 8.773 1.00 0.00 C ATOM 0 H LEU B 37 1.287 -6.089 6.933 1.00 0.00 H new ATOM 0 HA LEU B 37 1.589 -3.230 6.657 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.339 -4.536 8.458 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.907 -5.083 9.017 1.00 0.00 H new ATOM 0 HG LEU B 37 0.967 -3.247 10.350 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.960 -1.852 10.442 1.00 0.00 H new ATOM 0 HD12 LEU B 37 3.347 -3.586 10.334 1.00 0.00 H new ATOM 0 HD13 LEU B 37 3.510 -2.547 8.899 1.00 0.00 H new ATOM 0 HD21 LEU B 37 0.936 -0.971 9.429 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.346 -1.625 7.826 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.203 -2.051 8.591 1.00 0.00 H new ATOM 1923 N VAL B 38 3.955 -3.081 6.638 1.00 0.00 N ATOM 1924 CA VAL B 38 5.383 -2.879 6.495 1.00 0.00 C ATOM 1925 C VAL B 38 5.722 -1.460 6.896 1.00 0.00 C ATOM 1926 O VAL B 38 5.115 -0.528 6.399 1.00 0.00 O ATOM 1927 CB VAL B 38 5.889 -3.116 5.024 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.394 -2.896 4.905 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.532 -4.500 4.511 1.00 0.00 C ATOM 0 H VAL B 38 3.398 -2.272 6.364 1.00 0.00 H new ATOM 0 HA VAL B 38 5.878 -3.608 7.137 1.00 0.00 H new ATOM 0 HB VAL B 38 5.376 -2.380 4.405 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.707 -3.069 3.875 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.636 -1.872 5.191 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.916 -3.590 5.564 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.902 -4.617 3.492 1.00 0.00 H new ATOM 0 HG22 VAL B 38 5.989 -5.254 5.152 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.449 -4.623 4.520 1.00 0.00 H new ATOM 1939 N ASP B 39 6.625 -1.322 7.860 1.00 0.00 N ATOM 1940 CA ASP B 39 7.203 -0.021 8.304 1.00 0.00 C ATOM 1941 C ASP B 39 6.131 0.997 8.768 1.00 0.00 C ATOM 1942 O ASP B 39 6.366 2.199 8.850 1.00 0.00 O ATOM 1943 CB ASP B 39 8.090 0.555 7.173 1.00 0.00 C ATOM 1944 CG ASP B 39 8.915 1.753 7.580 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.937 1.572 8.279 1.00 0.00 O ATOM 1946 OD2 ASP B 39 8.585 2.890 7.192 1.00 0.00 O ATOM 0 H ASP B 39 6.996 -2.119 8.378 1.00 0.00 H new ATOM 0 HA ASP B 39 7.816 -0.210 9.185 1.00 0.00 H new ATOM 0 HB2 ASP B 39 8.759 -0.228 6.817 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.453 0.835 6.334 1.00 0.00 H new ATOM 1951 N GLY B 40 4.980 0.498 9.131 1.00 0.00 N ATOM 1952 CA GLY B 40 3.932 1.359 9.617 1.00 0.00 C ATOM 1953 C GLY B 40 3.043 1.909 8.521 1.00 0.00 C ATOM 1954 O GLY B 40 2.317 2.865 8.742 1.00 0.00 O ATOM 0 H GLY B 40 4.744 -0.494 9.100 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.318 0.805 10.328 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.379 2.190 10.162 1.00 0.00 H new ATOM 1958 N LYS B 41 3.117 1.341 7.340 1.00 0.00 N ATOM 1959 CA LYS B 41 2.199 1.708 6.291 1.00 0.00 C ATOM 1960 C LYS B 41 1.566 0.458 5.733 1.00 0.00 C ATOM 1961 O LYS B 41 2.114 -0.652 5.896 1.00 0.00 O ATOM 1962 CB LYS B 41 2.829 2.564 5.155 1.00 0.00 C ATOM 1963 CG LYS B 41 3.984 1.930 4.371 1.00 0.00 C ATOM 1964 CD LYS B 41 5.364 2.211 4.966 1.00 0.00 C ATOM 1965 CE LYS B 41 5.721 3.684 4.867 1.00 0.00 C ATOM 1966 NZ LYS B 41 7.109 3.960 5.279 1.00 0.00 N ATOM 0 H LYS B 41 3.799 0.627 7.084 1.00 0.00 H new ATOM 0 HA LYS B 41 1.446 2.354 6.742 1.00 0.00 H new ATOM 0 HB2 LYS B 41 2.041 2.823 4.448 1.00 0.00 H new ATOM 0 HB3 LYS B 41 3.186 3.497 5.591 1.00 0.00 H new ATOM 0 HG2 LYS B 41 3.831 0.852 4.326 1.00 0.00 H new ATOM 0 HG3 LYS B 41 3.959 2.298 3.345 1.00 0.00 H new ATOM 0 HD2 LYS B 41 5.382 1.900 6.011 1.00 0.00 H new ATOM 0 HD3 LYS B 41 6.115 1.617 4.444 1.00 0.00 H new ATOM 0 HE2 LYS B 41 5.577 4.021 3.840 1.00 0.00 H new ATOM 0 HE3 LYS B 41 5.039 4.262 5.491 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 7.165 4.912 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 7.408 3.256 5.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 7.734 3.907 4.450 1.00 0.00 H new ATOM 1980 N LEU B 42 0.431 0.607 5.108 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.249 -0.520 4.536 1.00 0.00 C ATOM 1982 C LEU B 42 0.196 -0.701 3.134 1.00 0.00 C ATOM 1983 O LEU B 42 0.113 0.206 2.303 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.763 -0.386 4.637 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.305 -0.413 6.045 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -3.748 0.067 6.069 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.224 -1.811 6.626 1.00 0.00 C ATOM 0 H LEU B 42 -0.043 1.501 4.982 1.00 0.00 H new ATOM 0 HA LEU B 42 0.012 -1.411 5.107 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.064 0.549 4.164 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.224 -1.194 4.069 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.695 0.256 6.652 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.123 0.041 7.092 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.798 1.088 5.690 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.358 -0.583 5.442 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.620 -1.807 7.641 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.809 -2.495 6.011 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.184 -2.138 6.644 1.00 0.00 H new ATOM 1999 N ILE B 43 0.719 -1.823 2.901 1.00 0.00 N ATOM 2000 CA ILE B 43 1.250 -2.171 1.623 1.00 0.00 C ATOM 2001 C ILE B 43 0.271 -3.066 0.919 1.00 0.00 C ATOM 2002 O ILE B 43 -0.178 -4.080 1.471 1.00 0.00 O ATOM 2003 CB ILE B 43 2.589 -2.894 1.794 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.595 -2.033 2.549 1.00 0.00 C ATOM 2005 CG2 ILE B 43 3.153 -3.423 0.486 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.911 -0.697 1.917 1.00 0.00 C ATOM 0 H ILE B 43 0.802 -2.561 3.600 1.00 0.00 H new ATOM 0 HA ILE B 43 1.414 -1.269 1.034 1.00 0.00 H new ATOM 0 HB ILE B 43 2.389 -3.775 2.404 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.215 -1.858 3.555 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.523 -2.595 2.652 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.102 -3.924 0.675 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.450 -4.131 0.046 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.312 -2.594 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.636 -0.165 2.533 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.327 -0.855 0.922 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.998 -0.106 1.839 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.085 -2.681 -0.261 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.031 -3.426 -1.038 1.00 0.00 C ATOM 2020 C ILE B 44 -0.327 -4.099 -2.209 1.00 0.00 C ATOM 2021 O ILE B 44 0.052 -3.451 -3.200 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.176 -2.516 -1.568 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -2.876 -1.754 -0.421 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.195 -3.313 -2.390 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -3.502 -2.636 0.644 1.00 0.00 C ATOM 0 H ILE B 44 0.269 -1.841 -0.718 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.472 -4.183 -0.390 1.00 0.00 H new ATOM 0 HB ILE B 44 -1.716 -1.779 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -2.149 -1.095 0.055 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -3.652 -1.118 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -3.980 -2.644 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -2.696 -3.770 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.635 -4.092 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.969 -2.011 1.406 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.257 -3.277 0.188 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.731 -3.254 1.104 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.138 -5.372 -2.067 1.00 0.00 N ATOM 2038 CA GLU B 45 0.432 -6.222 -3.085 1.00 0.00 C ATOM 2039 C GLU B 45 -0.643 -7.252 -3.356 1.00 0.00 C ATOM 2040 O GLU B 45 -1.193 -7.822 -2.389 1.00 0.00 O ATOM 2041 CB GLU B 45 1.698 -6.918 -2.523 1.00 0.00 C ATOM 2042 CG GLU B 45 2.414 -7.892 -3.464 1.00 0.00 C ATOM 2043 CD GLU B 45 3.200 -7.221 -4.577 1.00 0.00 C ATOM 2044 OE1 GLU B 45 2.620 -6.807 -5.596 1.00 0.00 O ATOM 2045 OE2 GLU B 45 4.439 -7.143 -4.461 1.00 0.00 O ATOM 0 H GLU B 45 -0.382 -5.874 -1.213 1.00 0.00 H new ATOM 0 HA GLU B 45 0.723 -5.676 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU B 45 2.408 -6.147 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU B 45 1.418 -7.460 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU B 45 3.093 -8.512 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU B 45 1.675 -8.559 -3.908 1.00 0.00 H new ATOM 2052 N PRO B 46 -0.997 -7.535 -4.610 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.044 -8.430 -4.881 1.00 0.00 C ATOM 2054 C PRO B 46 -1.541 -9.839 -4.760 1.00 0.00 C ATOM 2055 O PRO B 46 -0.318 -10.080 -4.740 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.469 -8.113 -6.316 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.534 -7.062 -6.775 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.366 -7.105 -5.838 1.00 0.00 C ATOM 0 HA PRO B 46 -2.880 -8.332 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.408 -8.998 -6.949 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.501 -7.765 -6.353 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.217 -7.244 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.011 -6.082 -6.758 1.00 0.00 H new ATOM 0 HD2 PRO B 46 0.402 -7.804 -6.171 1.00 0.00 H new ATOM 0 HD3 PRO B 46 0.113 -6.131 -5.734 1.00 0.00 H new ATOM 2066 N VAL B 47 -2.414 -10.752 -4.682 1.00 0.00 N ATOM 2067 CA VAL B 47 -1.986 -12.120 -4.549 1.00 0.00 C ATOM 2068 C VAL B 47 -1.912 -12.657 -5.924 1.00 0.00 C ATOM 2069 O VAL B 47 -2.927 -12.759 -6.611 1.00 0.00 O ATOM 2070 CB VAL B 47 -2.900 -13.014 -3.669 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.285 -14.372 -3.492 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.123 -12.414 -2.311 1.00 0.00 C ATOM 0 H VAL B 47 -3.423 -10.606 -4.705 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.029 -12.133 -4.027 1.00 0.00 H new ATOM 0 HB VAL B 47 -3.858 -13.094 -4.182 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -2.937 -14.989 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.158 -14.844 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.314 -14.271 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.768 -13.069 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.166 -12.298 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.598 -11.439 -2.418 1.00 0.00 H new